Basic information
- CAS
613658-25-6- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1- InChIKey
HWDNNTAODNWUIC-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO4S
- Average molar mass
- 346.2 g/mol
- Monoisotopic mass
- 344.9629343
Names & identifiers
- Preferred name
- 3-[(2,6-dichlorophenyl)sulfonylamino]benzoic Acid
- IUPAC
- 3-[(2,6-dichlorophenyl)sulfonylamino]benzoic acid
- English name
- 3-[[(2,6-Dichlorophenyl)sulfonyl]amino]benzoic acid
- Molecular formula
- C13H9Cl2NO4S
- Molecular weight
- 346.19
Names & synonyms
613658-25-63-((2,6-dichlorophenyl)sulfonamido)benzoic acid3-[(2,6-dichlorophenyl)sulfonylamino]benzoic Acid3-(2,6-dichlorophenylsulfonamido)benzoic acidBenzoicacid, 3-[[(2,6-dichlorophenyl)sulfonyl]amino]-DTXSID70403640AKOS0008057563-(2,6-Dichlorobenzene-1-sulfonamido)benzoic acidT6324920Z45636617F9995-07153-[[(2,6-Dichlorophenyl)sulfonyl]amino]benzoic acid
Show more names
Benzoic acid, 3-[[(2,6-dichlorophenyl)sulfonyl]amino]-
Database identifiers
- CAS
613658-25-6- PubChem CID
- 4480628
- DTXSID
DTXSID70403640
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 545.9 · 545.9±60.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
- pka
- 3.88 · 3.88±0.10(Predicted)
Chemistry & industry
Suppliers1 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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